Geometry & MOs

Info

ID:	206827
PubChem CID:	80306178
Reduced:	SN4C16H20 (1)
Stoich.:	AB4C16D20 (1)
Weight, g/mol:	285.06689
ΔH_f, kcal/mol:	66.7
Dipole, Da:	1.46
IP(EA), eV:	-8.72(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2-chloro-5-cyanoanilino)methyl]benzamide

Drug info:

PubChemData

Smile

CCCNCC1=CN(C2=C1C=CC=N2)CC3=NC(=CS3)C

DOS

IR

Vibrations